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Abbreviations BBB: Bloodbrain barrier CNS: Central nervous system FMO: Frontier molecular orbital GPx4: Glutathione peroxidase 4 MD: Molecular dynamic MM/GBSA: Molecular mechanics with generalized Born and surface area solvation MolSA: Molecular surface area MS: Multiple sclerosis PSA: Polar surface area QSAR: Quantitative structureactivity relationship rGyr: Radius of gyration RMS: Root mean squared RMSD: Root mean square deviation RMSF: Root mean square fluctuation SASA: Solvent accessible surface area References B.K.T

NF-B is a family of transcription factors involved in regulation of the inflammation and matrix metalloproteinases are activated under oxidative stress

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It highlights recent evidence that alcohol induces a cascade of reactive oxygen species (ROS)-mediated lipid peroxidation and nicotinamide adenine dinucleotide (NAD + ) depletion, triggering mitochondrial dysfunction and metabolic imbalances in the liver, heart, pancreas, and brain